============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 23 0.840 20.490 45.056 -42.012 -99.200 -91.000 TRP 32 1.040 36.275 38.035 -35.457 -99.200 -91.000 TRP6 32 1.020 38.111 39.357 -36.228 -99.200 -91.000 TYR 38 0.840 29.131 33.981 -31.311 -99.200 -91.000 HIS 42 0.900 18.830 45.301 -30.466 -99.200 -91.000 TYR 55 0.840 13.586 40.921 -33.668 -99.200 -91.000 PHE 67 1.000 24.203 41.483 -41.237 -99.200 -91.000 TYR 81 0.840 21.719 36.259 -43.792 -99.200 -91.000 TYR 98 0.840 45.039 40.740 -31.236 -99.200 -91.000 TYR 102 0.840 35.531 30.730 -27.680 -99.200 -91.000 PHE 104 1.000 30.263 31.088 -27.036 -99.200 -91.000 PHE 113 1.000 27.616 38.725 -15.658 -99.200 -91.000 TYR 119 0.840 28.439 53.028 -24.897 -99.200 -91.000 PHE 127 1.000 29.113 47.587 -16.013 -99.200 -91.000 HIS 128 0.900 31.560 41.896 -8.862 -99.200 -91.000 TYR 135 0.840 17.259 33.850 -14.062 -99.200 -91.000 PHE 141 1.000 24.949 47.453 -19.572 -99.200 -91.000 TYR 151 0.840 35.505 39.739 -19.091 -99.200 -91.000 PHE 160 1.000 34.013 35.711 -24.333 -99.200 -91.000 TYR 162 0.840 24.159 40.710 -19.743 -99.200 -91.000 HIS 164 0.900 22.402 45.858 -21.630 -99.200 -91.000 HIS 173 0.900 20.989 48.343 -17.108 -99.200 -91.000 PHE 178 1.000 28.064 35.514 -25.890 -99.200 -91.000 PHE 182 1.000 16.464 39.010 -24.263 -99.200 -91.000 TYR 183 0.840 21.667 34.879 -18.470 -99.200 -91.000 TYR 186 0.840 13.267 39.710 -17.763 -99.200 -91.000 TYR 199 0.840 12.473 35.747 -4.041 -99.200 -91.000 TRP 208 1.040 28.621 42.740 3.615 -99.200 -91.000 TRP6 208 1.020 26.693 43.168 4.931 -99.200 -91.000 TYR 210 0.840 31.001 32.670 7.437 -99.200 -91.000 TRP 219 1.040 27.228 45.073 14.801 -99.200 -91.000 TRP6 219 1.020 24.878 44.777 14.378 -99.200 -91.000 PHE 220 1.000 27.431 40.353 11.917 -99.200 -91.000 PHE 231 1.000 17.672 32.110 5.818 -99.200 -91.000 TRP 234 1.040 11.715 33.831 8.330 -99.200 -91.000 TRP6 234 1.020 13.358 35.297 7.463 -99.200 -91.000 PHE 240 1.000 16.640 37.693 3.425 -99.200 -91.000 TYR 271 0.840 12.920 40.672 6.429 -99.200 -91.000 PHE 274 1.000 21.852 45.888 8.669 -99.200 -91.000 PHE 285 1.000 20.022 41.667 5.691 -99.200 -91.000 TYR 295 0.840 38.875 30.860 0.264 -99.200 -91.000